1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one

C14H20ClNO — CID 82988049

IUPAC1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-5-10(6-4-2)14(17)12-8-7-11(16)9-13(12)15/h7-10H,3-6,16H2,1-2H3
InChIKeyLTMKHGNDNZFNEL-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.32
Rot. Bonds6

About 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one

1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one (PubChem CID 82988049) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one
PubChem CID82988049
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H20ClNO/c1-3-5-10(6-4-2)14(17)12-8-7-11(16)9-13(12)15/h7-10H,3-6,16H2,1-2H3
InChIKeyLTMKHGNDNZFNEL-UHFFFAOYSA-N
XLogP4.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-chlorophenyl)dodecan-1-one
CID 65426442
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
1-(2-hydroxy-4-methylphenyl)-2-propylpentan-1-one
CID 15072612
2-(4-amino-2-chlorobenzoyl)oxybutanoic acid
CID 64662601
3-ethoxypropyl 4-amino-2-chlorobenzoate
CID 65180615
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-2-chlorobenzoate
CID 61239178

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one (CID 82988049) is 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one?
The InChIKey is LTMKHGNDNZFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-5-10(6-4-2)14(17)12-8-7-11(16)9-13(12)15/h7-10H,3-6,16H2,1-2H3.
What are the key properties of 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one?
1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one has a molecular weight of 253.77 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one is sourced from PubChem (CID 82988049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).